Crystallography Open Database

Information card for entry 4133324

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Coordinates	4133324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H58 Mo O4
Calculated formula	C56 H58 Mo O4
Title of publication	Syntheses of Molybdenum Oxo Benzylidene Complexes.
Authors of publication	Zhai, Feng; Bukhryakov, Konstantin V.; Schrock, Richard R.; Hoveyda, Amir H.; Tsay, Charlene; Müller, Peter
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	42
Pages of publication	13609 - 13613
a	31.9462 ± 0.0016 Å
b	11.8211 ± 0.0006 Å
c	27.6304 ± 0.0014 Å
α	90°
β	104.247 ± 0.001°
γ	90°
Cell volume	10113.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.123
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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